#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh1 s LEU 14 N 0.00 3.59 -0.16 1.20 1.43 -1.26 -5.05 118.68 118.44 3dh1 s LEU 14 Ca 0.00 1.61 -0.08 0.00 -1.03 0.00 0.00 54.13 54.63 3dh1 s LEU 14 Cb 0.00 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.66 3dh1 s LEU 14 CO 0.00 -0.69 0.13 -0.47 0.23 0.00 0.00 176.35 175.54 3dh1 s TYR 15 N -2.61 3.48 -0.21 0.29 5.04 -1.26 -5.08 117.35 117.00 3dh1 s TYR 15 Ca 0.60 0.40 -0.06 0.00 -2.44 0.00 0.00 57.07 55.57 3dh1 s TYR 15 Cb -0.11 -2.03 -0.03 0.00 0.35 0.00 0.00 41.96 40.14 3dh1 s TYR 15 CO 0.33 0.51 0.02 -0.06 -1.34 0.00 0.00 175.55 175.01 3dh1 s PHE 16 N -0.37 3.06 0.13 4.97 0.40 -1.26 -4.35 117.98 120.56 3dh1 s PHE 16 Ca 0.11 -0.45 -0.31 0.00 -0.60 0.00 0.00 56.93 55.68 3dh1 s PHE 16 Cb -0.12 -2.13 -0.09 0.00 0.51 0.00 0.00 43.02 41.20 3dh1 s PHE 16 CO 0.01 -0.27 1.45 -0.65 0.70 0.00 0.00 175.22 176.46 3dh1 s GLN 17 N 1.17 4.28 1.09 0.44 -1.52 -1.26 -5.00 119.66 118.87 3dh1 s GLN 17 Ca 0.03 2.17 -0.16 0.00 -1.95 0.00 0.00 55.36 55.45 3dh1 s GLN 17 Cb -0.14 -3.23 0.23 0.00 -0.22 0.00 0.00 33.01 29.65 3dh1 s GLN 17 CO 0.02 -0.50 1.13 -1.54 -0.25 0.00 0.00 175.29 174.15 3dh1 s SER 18 N 1.15 1.89 0.14 5.90 1.04 -1.26 -4.80 113.70 117.76 3dh1 s SER 18 Ca 0.66 0.78 -0.18 0.00 0.48 0.00 0.00 55.95 57.70 3dh1 s SER 18 Cb -0.39 -1.17 0.02 0.00 0.10 0.00 0.00 66.02 64.58 3dh1 s SER 18 CO 0.30 -3.54 1.75 0.24 0.98 0.00 0.00 173.24 172.97 3dh1 h MET 19 N -2.18 0.21 -0.48 4.02 2.86 -1.99 -1.95 114.93 115.41 3dh1 h MET 19 Ca -0.48 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.08 3dh1 h MET 19 Cb 1.30 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.89 3dh1 h MET 19 CO 0.45 0.14 0.06 0.93 1.06 0.00 0.00 176.91 179.54 3dh1 h GLU 20 N 0.22 0.76 -0.15 1.72 5.08 -1.99 -1.63 114.58 118.59 3dh1 h GLU 20 Ca 0.13 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 3dh1 h GLU 20 Cb 0.11 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3dh1 h GLU 20 CO -0.14 0.73 -0.34 0.93 -1.00 0.00 0.00 179.01 179.19 3dh1 h GLU 21 N 0.73 0.30 -0.06 2.33 5.08 -1.88 -1.29 114.58 119.78 3dh1 h GLU 21 Ca 0.15 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3dh1 h GLU 21 Cb 0.36 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3dh1 h GLU 21 CO 0.01 0.61 0.02 1.15 -1.00 0.00 0.00 179.01 179.79 3dh1 h THR 22 N 0.26 1.18 -0.69 1.13 2.02 -0.76 0.17 112.91 116.22 3dh1 h THR 22 Ca 0.03 -0.54 0.04 0.00 0.77 0.00 0.00 66.41 66.71 3dh1 h THR 22 Cb 0.73 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 3dh1 h THR 22 CO 0.06 0.15 0.45 -0.33 0.37 0.00 0.00 175.52 176.22 3dh1 h GLU 23 N -0.10 0.78 -0.37 6.66 5.08 -1.20 0.10 114.58 125.54 3dh1 h GLU 23 Ca 0.02 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3dh1 h GLU 23 Cb 0.23 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3dh1 h GLU 23 CO -0.00 0.52 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.30 3dh1 h LYS 24 N 0.81 0.66 -0.44 2.33 3.11 -0.93 -0.99 116.57 121.11 3dh1 h LYS 24 Ca 0.28 -0.22 -0.08 0.00 -2.81 0.00 0.00 60.65 57.83 3dh1 h LYS 24 Cb 0.10 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.26 3dh1 h LYS 24 CO -0.08 0.77 -0.02 -1.49 -2.81 0.00 0.00 179.45 175.82 3dh1 h TRP 25 N 0.48 0.88 -0.13 1.91 -0.00 0.23 -2.64 115.95 116.67 3dh1 h TRP 25 Ca 0.10 -0.16 -0.04 0.00 -0.00 0.00 0.00 58.89 58.79 3dh1 h TRP 25 Cb 0.48 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 29.41 3dh1 h TRP 25 CO 0.04 0.86 -0.09 0.52 -0.00 0.00 0.00 178.44 179.77 3dh1 h MET 26 N 0.64 0.20 -0.26 0.49 2.86 -0.82 -1.26 114.93 116.77 3dh1 h MET 26 Ca 0.12 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3dh1 h MET 26 Cb 0.53 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3dh1 h MET 26 CO 0.03 0.30 0.15 0.93 1.06 0.00 0.00 176.91 179.38 3dh1 h GLU 27 N 0.19 0.31 -0.11 1.72 5.08 -0.93 -2.03 114.58 118.81 3dh1 h GLU 27 Ca 0.04 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3dh1 h GLU 27 Cb 0.29 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3dh1 h GLU 27 CO 0.02 0.20 -0.18 1.49 -1.00 0.00 0.00 179.01 179.54 3dh1 h GLU 28 N 0.32 0.18 -0.19 2.33 4.81 -1.08 -2.26 114.58 118.69 3dh1 h GLU 28 Ca 0.10 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 3dh1 h GLU 28 Cb -0.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3dh1 h GLU 28 CO -0.05 0.37 -0.56 0.00 -0.73 0.00 0.00 179.01 178.04 3dh1 h ALA 29 N 1.64 0.67 -0.71 2.92 0.00 -1.07 -2.39 119.26 120.31 3dh1 h ALA 29 Ca 0.03 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3dh1 h ALA 29 Cb 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3dh1 h ALA 29 CO 0.03 0.69 0.28 0.52 0.00 0.00 0.00 179.25 180.77 3dh1 h MET 30 N 0.44 1.07 -0.79 0.00 2.86 -1.04 0.71 114.93 118.19 3dh1 h MET 30 Ca 0.01 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 3dh1 h MET 30 Cb 1.11 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.56 3dh1 h MET 30 CO 0.11 0.88 0.44 0.45 1.06 0.00 0.00 176.91 179.85 3dh1 h HIS 31 N 1.02 1.06 -0.39 -0.22 -0.00 -1.35 -0.28 115.15 114.99 3dh1 h HIS 31 Ca 0.24 -0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.45 3dh1 h HIS 31 Cb 0.22 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 3dh1 h HIS 31 CO 0.02 0.73 -0.30 0.52 -0.00 0.00 0.00 177.93 178.90 3dh1 h MET 32 N 1.09 0.90 -0.70 2.45 2.86 -0.86 -1.58 114.93 119.09 3dh1 h MET 32 Ca 0.28 -0.44 0.12 0.00 -2.06 0.00 0.00 59.70 57.60 3dh1 h MET 32 Cb 0.01 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.59 3dh1 h MET 32 CO -0.05 1.09 0.28 0.00 1.06 0.00 0.00 176.91 179.30 3dh1 h ALA 33 N 0.79 0.96 -0.78 6.32 0.00 -0.59 -0.35 119.26 125.61 3dh1 h ALA 33 Ca 0.07 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3dh1 h ALA 33 Cb 0.88 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3dh1 h ALA 33 CO 0.08 -0.18 0.43 0.87 0.00 0.00 0.00 179.25 180.45 3dh1 h LYS 34 N 0.46 1.09 -0.41 0.00 1.57 -0.69 -0.90 116.57 117.69 3dh1 h LYS 34 Ca 0.37 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3dh1 h LYS 34 Cb 0.51 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3dh1 h LYS 34 CO -0.35 0.80 0.21 0.93 -0.57 0.00 0.00 179.45 180.47 3dh1 h GLU 35 N 1.08 0.58 -0.53 3.15 5.08 -0.81 -2.49 114.58 120.63 3dh1 h GLU 35 Ca 0.27 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3dh1 h GLU 35 Cb 0.04 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3dh1 h GLU 35 CO -0.04 0.48 0.33 0.00 -1.00 0.00 0.00 179.01 178.77 3dh1 h ALA 36 N 1.06 0.67 -0.60 3.43 0.00 -0.85 -1.86 119.26 121.11 3dh1 h ALA 36 Ca 0.14 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.14 3dh1 h ALA 36 Cb 0.08 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 3dh1 h ALA 36 CO -0.02 0.05 0.17 1.25 0.00 0.00 0.00 179.25 180.70 3dh1 h LEU 37 N 0.65 0.09 -0.87 0.00 5.85 -1.01 -0.05 115.31 119.97 3dh1 h LEU 37 Ca 0.21 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 3dh1 h LEU 37 Cb -0.01 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 3dh1 h LEU 37 CO -0.08 0.06 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.66 3dh1 h GLU 38 N 0.32 0.00 -0.66 1.25 5.08 -1.14 -2.44 114.58 116.98 3dh1 h GLU 38 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3dh1 h GLU 38 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3dh1 h GLU 38 CO -0.36 0.08 0.00 0.09 -1.00 0.00 0.00 179.01 177.82 3dh1 n ASN 39 N -3.17 2.99 -1.28 1.42 3.02 -0.67 -4.89 115.26 112.69 3dh1 n ASN 39 Ca 0.02 -2.33 -0.14 0.00 -0.03 0.00 0.00 54.58 52.10 3dh1 n ASN 39 Cb 0.43 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 39.07 3dh1 n ASN 39 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3dh1 n THR 40 N 0.41 -0.28 -3.38 3.41 -1.04 -0.92 -4.91 114.28 107.57 3dh1 n THR 40 Ca 0.14 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.95 3dh1 n THR 40 Cb 0.61 -1.76 -0.00 0.00 -1.82 0.00 0.00 70.33 67.35 3dh1 n THR 40 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3dh1 s GLU 41 N -3.81 3.13 0.17 -2.82 0.41 -0.12 -4.88 118.70 110.77 3dh1 s GLU 41 Ca 0.00 -0.86 -0.32 0.00 -0.41 0.00 0.00 54.97 53.38 3dh1 s GLU 41 Cb 0.00 -2.76 -0.11 0.00 -1.78 0.00 0.00 34.13 29.48 3dh1 s GLU 41 CO 0.00 0.00 1.66 0.08 -0.49 0.00 0.00 175.26 176.51 3dh1 s VAL 42 N -2.26 2.42 -1.12 2.63 1.01 -1.26 -3.94 120.40 117.88 3dh1 s VAL 42 Ca 0.45 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.45 3dh1 s VAL 42 Cb -0.10 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 3dh1 s VAL 42 CO 0.33 0.02 1.93 -2.16 0.00 0.00 0.00 175.10 175.21 3dh1 s PRO 43 N 1.40 2.55 -0.09 2.72 0.04 -1.26 -4.48 135.00 135.89 3dh1 s PRO 43 Ca 0.73 -0.98 -0.02 0.00 0.04 0.00 0.00 61.00 60.77 3dh1 s PRO 43 Cb -0.46 -5.21 0.03 0.00 0.04 0.00 0.00 34.50 28.91 3dh1 s PRO 43 CO 0.32 -3.79 0.02 0.08 0.04 0.00 0.00 177.00 173.67 3dh1 s VAL 44 N 10.61 0.25 0.05 -0.36 1.01 -1.26 -4.78 120.40 125.92 3dh1 s VAL 44 Ca 0.68 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.82 3dh1 s VAL 44 Cb -0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 3dh1 s VAL 44 CO 0.10 0.15 -0.19 -0.83 0.00 0.00 0.00 175.10 174.32 3dh1 s GLY 45 N 2.01 1.08 0.08 4.51 0.00 -1.26 -2.73 107.32 111.02 3dh1 s GLY 45 Ca 0.04 -1.05 -0.13 0.00 0.00 0.00 0.00 44.72 43.58 3dh1 s GLY 45 CO -0.05 -1.00 0.30 0.00 0.00 0.00 0.00 173.10 172.34 3dh1 s LEU 47 N -2.45 2.10 -0.19 0.00 1.43 0.05 -1.57 118.68 118.06 3dh1 s LEU 47 Ca -0.00 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3dh1 s LEU 47 Cb 0.01 -0.20 0.04 0.00 0.03 0.00 0.00 46.19 46.07 3dh1 s LEU 47 CO -0.07 -0.05 -0.10 -0.04 0.23 0.00 0.00 176.35 176.32 3dh1 s MET 48 N -0.67 1.97 -0.17 1.70 -1.94 0.71 -0.92 119.30 119.99 3dh1 s MET 48 Ca -0.03 -0.78 -0.06 0.00 -1.71 0.00 0.00 55.69 53.11 3dh1 s MET 48 Cb -0.05 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.42 3dh1 s MET 48 CO -0.00 -0.41 0.02 0.08 -0.01 0.00 0.00 175.02 174.70 3dh1 s VAL 49 N 1.43 4.43 -0.05 -6.03 1.01 -0.64 -0.71 120.40 119.84 3dh1 s VAL 49 Ca -0.01 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3dh1 s VAL 49 Cb -0.16 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.26 3dh1 s VAL 49 CO -0.08 0.48 -0.11 -0.47 0.00 0.00 0.00 175.10 174.91 3dh1 s TYR 50 N 0.31 1.32 -1.50 5.22 5.04 0.04 -1.93 117.35 125.85 3dh1 s TYR 50 Ca 0.01 -0.45 -0.01 0.00 -2.44 0.00 0.00 57.07 54.18 3dh1 s TYR 50 Cb -0.13 -0.97 0.01 0.00 0.35 0.00 0.00 41.96 41.22 3dh1 s TYR 50 CO 0.01 -0.23 0.20 -1.71 -1.34 0.00 0.00 175.55 172.48 3dh1 n ASN 51 N 3.68 0.33 -1.69 4.32 5.15 -1.26 -0.14 115.26 125.64 3dh1 n ASN 51 Ca -0.22 -1.16 -0.21 0.00 -0.60 0.00 0.00 54.58 52.39 3dh1 n ASN 51 Cb 0.52 -2.23 -0.08 0.00 -0.53 0.00 0.00 39.78 37.47 3dh1 n ASN 51 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3dh1 n ASN 52 N -2.92 -5.49 -4.23 1.20 5.15 -1.26 -4.87 115.26 102.84 3dh1 n ASN 52 Ca -0.31 0.45 -0.28 0.00 -0.60 0.00 0.00 54.58 53.84 3dh1 n ASN 52 Cb 0.69 -4.81 -0.16 0.00 -0.53 0.00 0.00 39.78 34.97 3dh1 n ASN 52 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3dh1 s GLU 53 N -3.90 1.77 -0.41 1.20 2.12 0.80 -5.09 118.70 115.19 3dh1 s GLU 53 Ca 0.00 -0.76 -0.29 0.00 0.36 0.00 0.00 54.97 54.28 3dh1 s GLU 53 Cb 0.00 -1.69 0.02 0.00 0.26 0.00 0.00 34.13 32.71 3dh1 s GLU 53 CO 0.00 0.45 1.26 0.08 -0.54 0.00 0.00 175.26 176.51 3dh1 s VAL 54 N -0.46 4.11 -0.54 3.70 1.01 -1.26 -0.78 120.40 126.17 3dh1 s VAL 54 Ca 0.07 1.16 0.12 0.00 0.00 0.00 0.00 61.98 63.33 3dh1 s VAL 54 Cb -0.09 -4.37 -0.13 0.00 0.00 0.00 0.00 36.38 31.80 3dh1 s VAL 54 CO -0.01 -0.79 0.49 0.55 0.00 0.00 0.00 175.10 175.34 3dh1 n VAL 55 N 6.75 0.00 -3.64 2.92 3.14 0.11 -4.97 118.33 122.65 3dh1 n VAL 55 Ca 0.14 -0.23 -0.09 0.00 -2.96 0.00 0.00 64.34 61.20 3dh1 n VAL 55 Cb 0.48 0.98 -0.07 0.00 -1.06 0.00 0.00 33.84 34.17 3dh1 n VAL 55 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3dh1 s GLY 56 N -2.12 -0.39 0.30 7.55 0.00 -1.10 -3.26 107.32 108.29 3dh1 s GLY 56 Ca 0.04 2.44 0.08 0.00 0.00 0.00 0.00 44.72 47.29 3dh1 s GLY 56 CO 0.48 2.05 -0.09 0.54 0.00 0.00 0.00 173.10 176.08 3dh1 s LYS 57 N 0.79 1.64 -0.29 2.90 1.02 -1.26 -0.21 119.74 124.33 3dh1 s LYS 57 Ca -0.03 -1.82 -0.23 0.00 0.02 0.00 0.00 55.97 53.90 3dh1 s LYS 57 Cb -0.05 -1.40 0.17 0.00 -0.52 0.00 0.00 37.83 36.03 3dh1 s LYS 57 CO -0.08 0.11 1.25 0.20 -0.92 0.00 0.00 175.35 175.91 3dh1 s GLY 58 N -3.50 0.18 0.33 -3.33 0.00 -0.61 -3.57 107.32 96.83 3dh1 s GLY 58 Ca 0.30 3.24 0.08 0.00 0.00 0.00 0.00 44.72 48.35 3dh1 s GLY 58 CO 0.13 2.04 0.12 0.50 0.00 0.00 0.00 173.10 175.89 3dh1 s ARG 59 N 0.30 2.35 0.17 2.90 0.52 -1.26 -1.53 118.95 122.40 3dh1 s ARG 59 Ca 0.03 -1.54 -0.33 0.00 -0.52 0.00 0.00 55.73 53.38 3dh1 s ARG 59 Cb -0.05 -2.16 -0.12 0.00 0.52 0.00 0.00 34.95 33.14 3dh1 s ARG 59 CO -0.12 0.15 1.71 0.09 0.02 0.00 0.00 175.30 177.14 3dh1 n ASN 60 N -1.11 3.73 -0.34 0.23 4.13 -1.10 -3.82 115.26 116.97 3dh1 n ASN 60 Ca -0.04 1.05 0.07 0.00 1.68 0.00 0.00 54.58 57.35 3dh1 n ASN 60 Cb 0.61 -1.52 0.13 0.00 -1.54 0.00 0.00 39.78 37.46 3dh1 n ASN 60 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3dh1 n GLU 61 N 4.18 1.09 -0.25 3.52 1.02 -0.81 -4.80 120.64 124.59 3dh1 n GLU 61 Ca 0.17 -2.49 -0.06 0.00 -0.02 0.00 0.00 57.16 54.76 3dh1 n GLU 61 Cb 0.33 -1.30 0.05 0.00 -0.02 0.00 0.00 31.44 30.51 3dh1 n GLU 61 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3dh1 h VAL 62 N 1.65 1.23 -0.04 2.62 2.07 -1.77 0.21 116.25 122.23 3dh1 h VAL 62 Ca -0.01 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 3dh1 h VAL 62 Cb 1.11 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3dh1 h VAL 62 CO 0.01 0.28 -0.30 0.78 0.02 0.00 0.00 177.57 178.36 3dh1 h ASN 63 N 0.98 0.33 0.14 0.57 2.35 -1.89 0.72 115.58 118.78 3dh1 h ASN 63 Ca 0.24 -0.69 0.02 0.00 -0.55 0.00 0.00 56.30 55.31 3dh1 h ASN 63 Cb 0.13 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 3dh1 h ASN 63 CO -0.03 0.97 -0.44 1.56 -1.65 0.00 0.00 177.43 177.84 3dh1 h GLN 64 N -0.29 -0.67 0.00 0.81 4.20 -1.88 -3.05 115.11 114.24 3dh1 h GLN 64 Ca -0.03 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3dh1 h GLN 64 Cb 0.98 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.91 3dh1 h GLN 64 CO 0.06 -0.44 -0.00 0.00 -0.67 0.00 0.00 178.83 177.77 3dh1 h THR 65 N -0.69 0.01 -5.30 -0.54 1.03 -0.68 -3.47 112.91 103.27 3dh1 h THR 65 Ca 0.01 -0.82 -0.41 0.00 -0.01 0.00 0.00 66.41 65.18 3dh1 h THR 65 Cb 0.71 1.81 0.01 0.00 -1.07 0.00 0.00 68.15 69.61 3dh1 h THR 65 CO -0.24 0.00 -0.63 0.29 -0.01 0.00 0.00 175.52 174.93 3dh1 n LYS 66 N -3.10 -4.94 -3.77 0.00 5.02 0.22 -5.00 118.16 106.60 3dh1 n LYS 66 Ca 0.03 0.71 -0.26 0.00 -2.02 0.00 0.00 58.31 56.76 3dh1 n LYS 66 Cb 0.44 -5.55 -0.17 0.00 -0.02 0.00 0.00 35.03 29.73 3dh1 n LYS 66 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3dh1 s ASN 67 N -2.90 2.52 0.54 4.39 3.84 -1.05 -5.03 114.94 117.25 3dh1 s ASN 67 Ca 0.44 -0.59 0.32 0.00 0.21 0.00 0.00 52.86 53.24 3dh1 s ASN 67 Cb -0.21 -0.60 1.31 0.00 -0.55 0.00 0.00 41.25 41.19 3dh1 s ASN 67 CO 0.54 -0.26 1.97 0.00 -2.79 0.00 0.00 177.10 176.56 3dh1 h ALA 68 N 8.25 1.01 0.00 1.71 0.00 -1.95 -2.02 119.26 126.26 3dh1 h ALA 68 Ca -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3dh1 h ALA 68 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dh1 h ALA 68 CO 0.33 0.05 0.00 1.79 0.00 0.00 0.00 179.25 181.41 3dh1 h THR 69 N 0.00 0.00 -0.48 0.00 1.35 -1.96 -3.41 112.91 108.41 3dh1 h THR 69 Ca -0.00 -0.45 -0.72 0.00 -0.55 0.00 0.00 66.41 64.69 3dh1 h THR 69 Cb 0.54 1.37 -0.06 0.00 -1.73 0.00 0.00 68.15 68.27 3dh1 h THR 69 CO 0.00 0.00 2.93 0.54 -0.25 0.00 0.00 175.52 178.74 3dh1 n ARG 70 N -2.79 3.41 -2.12 4.72 1.74 -0.76 -4.77 116.66 116.08 3dh1 n ARG 70 Ca 0.01 -2.85 -0.32 0.00 -0.77 0.00 0.00 57.85 53.93 3dh1 n ARG 70 Cb 0.30 -3.03 -0.01 0.00 -1.02 0.00 0.00 32.46 28.71 3dh1 n ARG 70 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3dh1 s HIS 71 N 1.80 3.50 0.33 -1.55 3.76 -1.26 -1.91 115.29 119.95 3dh1 s HIS 71 Ca 0.51 1.39 0.10 0.00 -0.15 0.00 0.00 55.06 56.90 3dh1 s HIS 71 Cb 0.14 -2.77 0.99 0.00 1.11 0.00 0.00 32.58 32.05 3dh1 s HIS 71 CO -0.06 -0.57 1.60 0.00 -0.85 0.00 0.00 174.74 174.86 3dh1 h ALA 72 N 0.29 1.63 -0.55 -1.40 0.00 -1.83 0.20 119.26 117.60 3dh1 h ALA 72 Ca -0.45 0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3dh1 h ALA 72 Cb 1.19 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 3dh1 h ALA 72 CO 0.61 -0.68 -0.04 0.93 0.00 0.00 0.00 179.25 180.08 3dh1 h GLU 73 N 0.09 0.98 -0.24 0.00 3.07 -1.88 -2.36 114.58 114.24 3dh1 h GLU 73 Ca 0.69 -0.32 -0.16 0.00 -0.50 0.00 0.00 59.36 59.07 3dh1 h GLU 73 Cb 1.60 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.42 3dh1 h GLU 73 CO -0.77 0.99 -0.50 0.52 -1.40 0.00 0.00 179.01 177.84 3dh1 h MET 74 N 0.89 0.66 -0.76 2.33 2.86 -0.91 -2.24 114.93 117.76 3dh1 h MET 74 Ca 0.16 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 3dh1 h MET 74 Cb 0.57 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 3dh1 h MET 74 CO 0.03 1.01 0.38 0.28 1.06 0.00 0.00 176.91 179.67 3dh1 h VAL 75 N 0.52 1.24 0.22 -2.22 2.07 -1.27 -2.77 116.25 114.04 3dh1 h VAL 75 Ca 0.02 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3dh1 h VAL 75 Cb 1.06 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3dh1 h VAL 75 CO 0.10 0.28 -0.14 0.00 0.02 0.00 0.00 177.57 177.83 3dh1 h ALA 76 N 1.19 -0.33 -0.87 1.67 0.00 -1.14 -2.83 119.26 116.95 3dh1 h ALA 76 Ca 0.26 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.25 3dh1 h ALA 76 Cb 0.10 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3dh1 h ALA 76 CO -0.04 -0.70 0.56 0.82 0.00 0.00 0.00 179.25 179.90 3dh1 h ILE 77 N -0.35 0.85 -0.42 0.00 2.04 -1.20 0.20 117.51 118.63 3dh1 h ILE 77 Ca -0.02 -0.23 -0.12 0.00 1.00 0.00 0.00 64.86 65.49 3dh1 h ILE 77 Cb 0.29 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3dh1 h ILE 77 CO 0.02 0.12 -0.22 0.44 0.00 0.00 0.00 178.15 178.51 3dh1 h ASP 78 N 0.68 0.92 -0.65 1.72 5.19 -1.35 -1.54 116.42 121.40 3dh1 h ASP 78 Ca 0.43 -0.41 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 3dh1 h ASP 78 Cb 0.69 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.92 3dh1 h ASP 78 CO -0.19 1.13 0.29 1.56 -3.12 0.00 0.00 179.24 178.90 3dh1 h GLN 79 N 0.72 0.95 -0.73 3.56 4.20 -0.79 0.11 115.11 123.12 3dh1 h GLN 79 Ca 0.09 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 3dh1 h GLN 79 Cb 0.79 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 3dh1 h GLN 79 CO 0.06 0.78 0.23 0.28 -0.67 0.00 0.00 178.83 179.52 3dh1 h VAL 80 N 0.90 1.26 -0.64 -0.54 2.07 -0.98 0.25 116.25 118.57 3dh1 h VAL 80 Ca 0.22 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 3dh1 h VAL 80 Cb 0.16 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3dh1 h VAL 80 CO -0.02 0.35 0.22 -0.07 0.02 0.00 0.00 177.57 178.07 3dh1 h LEU 81 N 1.09 0.88 -0.45 2.57 3.38 -0.89 0.19 115.31 122.08 3dh1 h LEU 81 Ca 0.24 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3dh1 h LEU 81 Cb 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3dh1 h LEU 81 CO -0.01 0.81 -0.03 -0.78 0.09 0.00 0.00 178.44 178.52 3dh1 h ASP 82 N 0.93 0.80 -0.65 -0.43 3.58 -0.41 -2.19 116.42 118.04 3dh1 h ASP 82 Ca 0.21 -0.32 0.06 0.00 0.42 0.00 0.00 57.03 57.40 3dh1 h ASP 82 Cb 0.23 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.01 3dh1 h ASP 82 CO -0.01 0.93 0.36 -0.25 -2.88 0.00 0.00 179.24 177.38 3dh1 h TRP 83 N 0.65 0.66 -0.56 0.28 7.01 0.28 -2.71 115.95 121.55 3dh1 h TRP 83 Ca 0.12 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 3dh1 h TRP 83 Cb 0.54 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.37 3dh1 h TRP 83 CO 0.04 0.32 0.18 0.00 -2.79 0.00 0.00 178.44 176.19 3dh1 h ARG 85 N 0.78 0.07 0.00 0.00 2.43 -1.12 -1.57 114.38 114.98 3dh1 h ARG 85 Ca 0.18 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.11 3dh1 h ARG 85 Cb 0.27 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 3dh1 h ARG 85 CO -0.01 0.05 -1.38 1.96 -1.51 0.00 0.00 179.97 179.08 3dh1 h GLN 86 N 0.08 0.00 0.00 0.20 4.20 -1.18 -3.28 115.11 115.13 3dh1 h GLN 86 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 3dh1 h GLN 86 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3dh1 h GLN 86 CO -0.60 0.61 -0.08 -1.13 -0.67 0.00 0.00 178.83 176.96 3dh1 n SER 87 N -3.12 0.12 0.00 1.46 3.41 -0.28 -4.92 113.62 110.29 3dh1 n SER 87 Ca -0.10 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 3dh1 n SER 87 Cb 0.97 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3dh1 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dh1 n GLY 88 N 1.49 1.52 3.80 5.00 0.00 -0.61 -5.02 105.19 111.36 3dh1 n GLY 88 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3dh1 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dh1 s LYS 89 N -0.09 3.36 0.23 1.61 -0.14 -1.13 -5.01 119.74 118.57 3dh1 s LYS 89 Ca 0.00 1.23 -0.19 0.00 -1.36 0.00 0.00 55.97 55.65 3dh1 s LYS 89 Cb 0.00 -2.04 -0.08 0.00 -1.68 0.00 0.00 37.83 34.03 3dh1 s LYS 89 CO 0.00 -0.78 0.71 -1.54 -0.76 0.00 0.00 175.35 172.98 3dh1 s SER 90 N -2.69 7.00 0.19 2.83 1.04 -1.26 -4.48 113.70 116.32 3dh1 s SER 90 Ca 0.64 1.37 -0.12 0.00 0.48 0.00 0.00 55.95 58.32 3dh1 s SER 90 Cb -0.16 -2.40 0.20 0.00 0.10 0.00 0.00 66.02 63.75 3dh1 s SER 90 CO 0.35 0.01 1.73 -0.65 0.98 0.00 0.00 173.24 175.66 3dh1 h PRO 91 N 3.28 0.29 -0.39 4.02 0.11 -1.96 -2.24 132.00 135.11 3dh1 h PRO 91 Ca -0.48 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.68 3dh1 h PRO 91 Cb 1.19 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 3dh1 h PRO 91 CO 0.65 0.19 0.04 0.66 -0.21 0.00 0.00 178.00 179.33 3dh1 h SER 92 N 0.30 -0.07 -0.92 -2.05 4.64 -1.95 0.83 113.55 114.32 3dh1 h SER 92 Ca 0.25 0.08 0.15 0.00 -0.47 0.00 0.00 61.79 61.80 3dh1 h SER 92 Cb 0.31 0.12 -0.10 0.00 -0.31 0.00 0.00 62.40 62.43 3dh1 h SER 92 CO -0.30 -0.00 0.53 -0.08 -0.87 0.00 0.00 176.83 176.11 3dh1 h GLU 93 N 0.16 0.72 0.00 4.77 4.81 -1.91 -2.68 114.58 120.45 3dh1 h GLU 93 Ca 0.19 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3dh1 h GLU 93 Cb 0.25 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 3dh1 h GLU 93 CO -0.28 0.48 -0.26 0.28 -0.73 0.00 0.00 179.01 178.50 3dh1 h VAL 94 N 0.74 0.49 -0.83 0.32 2.07 -0.62 -3.37 116.25 115.05 3dh1 h VAL 94 Ca 0.50 -1.42 0.09 0.00 0.82 0.00 0.00 66.70 66.69 3dh1 h VAL 94 Cb 0.69 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 3dh1 h VAL 94 CO -0.35 0.17 0.54 -0.26 0.02 0.00 0.00 177.57 177.69 3dh1 h PHE 95 N -1.00 0.86 0.00 1.57 -1.00 -0.99 -1.82 116.94 114.56 3dh1 h PHE 95 Ca -0.04 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3dh1 h PHE 95 Cb 0.48 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.76 3dh1 h PHE 95 CO 0.02 0.41 0.00 0.93 -1.61 0.00 0.00 178.31 178.06 3dh1 h GLU 96 N 0.81 0.00 -0.25 1.51 5.08 -1.62 -2.61 114.58 117.49 3dh1 h GLU 96 Ca 0.38 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.54 3dh1 h GLU 96 Cb 0.40 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.47 3dh1 h GLU 96 CO -0.15 0.00 -0.66 0.72 -1.00 0.00 0.00 179.01 177.92 3dh1 n HIS 97 N -2.64 0.91 -5.01 4.33 8.25 -0.69 -4.38 115.22 115.99 3dh1 n HIS 97 Ca -0.01 -1.68 -0.32 0.00 -0.26 0.00 0.00 57.72 55.45 3dh1 n HIS 97 Cb 0.14 -0.27 -0.14 0.00 1.12 0.00 0.00 29.99 30.83 3dh1 n HIS 97 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3dh1 s THR 98 N -3.45 2.71 -0.14 1.59 2.01 -0.98 -4.53 115.64 112.84 3dh1 s THR 98 Ca 0.41 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 3dh1 s THR 98 Cb 0.38 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 3dh1 s THR 98 CO -0.04 0.58 0.03 -0.69 -0.69 0.00 0.00 174.62 173.81 3dh1 s VAL 99 N -0.47 4.54 -0.20 3.82 1.01 -0.81 -4.15 120.40 124.13 3dh1 s VAL 99 Ca 0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 3dh1 s VAL 99 Cb -0.12 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3dh1 s VAL 99 CO 0.01 0.53 0.12 -0.22 0.00 0.00 0.00 175.10 175.54 3dh1 s LEU 100 N -0.14 4.12 -0.30 3.92 2.96 -0.65 -1.62 118.68 126.97 3dh1 s LEU 100 Ca 0.06 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 3dh1 s LEU 100 Cb -0.12 -2.07 0.06 0.00 0.50 0.00 0.00 46.19 44.56 3dh1 s LEU 100 CO 0.02 0.16 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.87 3dh1 s TYR 101 N 0.50 3.35 0.07 5.38 1.51 -0.09 0.70 117.35 128.77 3dh1 s TYR 101 Ca 0.07 -2.22 0.08 0.00 -1.01 0.00 0.00 57.07 53.99 3dh1 s TYR 101 Cb -0.12 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.47 3dh1 s TYR 101 CO -0.00 -0.86 -0.20 0.14 -1.11 0.00 0.00 175.55 173.51 3dh1 s VAL 102 N 1.15 1.65 0.30 0.71 -7.23 -0.28 -0.77 120.40 115.93 3dh1 s VAL 102 Ca -0.04 -1.34 0.14 0.00 -1.81 0.00 0.00 61.98 58.93 3dh1 s VAL 102 Cb -0.20 -1.47 0.07 0.00 0.56 0.00 0.00 36.38 35.34 3dh1 s VAL 102 CO -0.04 0.07 1.75 0.74 -0.31 0.00 0.00 175.10 177.31 3dh1 h THR 103 N 4.24 1.22 -4.04 5.32 2.02 -1.68 -2.85 112.91 117.14 3dh1 h THR 103 Ca -0.44 -1.58 -0.41 0.00 0.77 0.00 0.00 66.41 64.75 3dh1 h THR 103 Cb 1.17 1.87 -0.26 0.00 -1.74 0.00 0.00 68.15 69.20 3dh1 h THR 103 CO 0.42 0.44 -0.78 -0.69 0.37 0.00 0.00 175.52 175.27 3dh1 s VAL 104 N -3.88 0.93 -0.29 3.16 1.01 -1.26 -2.38 120.40 117.69 3dh1 s VAL 104 Ca -0.02 -0.80 -0.44 0.00 0.00 0.00 0.00 61.98 60.72 3dh1 s VAL 104 Cb 0.13 -0.84 -0.20 0.00 0.00 0.00 0.00 36.38 35.47 3dh1 s VAL 104 CO 0.72 0.04 1.38 1.21 0.00 0.00 0.00 175.10 178.45 3dh1 n GLU 105 N 2.18 0.00 -1.65 2.72 2.13 -0.19 -4.78 120.64 121.06 3dh1 n GLU 105 Ca -0.17 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.20 3dh1 n GLU 105 Cb 0.55 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.73 3dh1 n GLU 105 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3dh1 n PRO 106 N 2.96 1.86 -1.36 5.31 -0.02 -1.26 -4.61 135.00 137.89 3dh1 n PRO 106 Ca 0.26 0.66 -0.30 0.00 -2.02 0.00 0.00 63.50 62.11 3dh1 n PRO 106 Cb -0.00 -2.29 0.20 0.00 -0.02 0.00 0.00 33.50 31.38 3dh1 n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dh1 h ILE 108 N -2.07 0.95 0.18 0.00 2.04 -1.39 0.55 117.51 117.77 3dh1 h ILE 108 Ca -0.47 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 3dh1 h ILE 108 Cb 1.30 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3dh1 h ILE 108 CO 0.44 0.13 -0.09 -0.03 0.00 0.00 0.00 178.15 178.61 3dh1 h MET 109 N 0.71 -0.23 -0.20 2.37 4.05 -1.91 -1.44 114.93 118.28 3dh1 h MET 109 Ca 0.35 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.77 3dh1 h MET 109 Cb 0.43 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 3dh1 h MET 109 CO -0.13 0.13 0.06 0.00 0.23 0.00 0.00 176.91 177.20 3dh1 h ALA 111 N 0.89 1.62 -0.17 0.00 0.00 0.01 0.12 119.26 121.74 3dh1 h ALA 111 Ca 0.06 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3dh1 h ALA 111 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3dh1 h ALA 111 CO -0.00 0.12 -0.52 0.00 0.00 0.00 0.00 179.25 178.85 3dh1 h ALA 112 N 1.56 0.79 -0.36 0.00 0.00 -0.71 -2.64 119.26 117.91 3dh1 h ALA 112 Ca 0.49 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dh1 h ALA 112 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3dh1 h ALA 112 CO -0.25 0.68 0.13 0.00 0.00 0.00 0.00 179.25 179.81 3dh1 h ALA 113 N 1.07 0.47 -0.56 0.00 0.00 -0.31 -2.67 119.26 117.26 3dh1 h ALA 113 Ca 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3dh1 h ALA 113 Cb 1.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3dh1 h ALA 113 CO 0.09 0.09 0.24 -0.07 0.00 0.00 0.00 179.25 179.60 3dh1 h LEU 114 N 0.44 0.77 -0.66 0.00 3.38 -0.65 -0.96 115.31 117.62 3dh1 h LEU 114 Ca 0.12 -0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.06 3dh1 h LEU 114 Cb 0.21 -0.20 -0.12 0.00 0.09 0.00 0.00 40.66 40.64 3dh1 h LEU 114 CO -0.01 0.72 -0.11 0.03 0.09 0.00 0.00 178.44 179.15 3dh1 h ARG 115 N 0.77 0.03 -0.39 1.13 3.08 -1.49 0.52 114.38 118.03 3dh1 h ARG 115 Ca 0.19 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 3dh1 h ARG 115 Cb 0.18 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3dh1 h ARG 115 CO -0.02 0.02 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.65 3dh1 h LEU 116 N 0.03 0.74 -0.11 3.04 3.38 -1.04 -1.98 115.31 119.36 3dh1 h LEU 116 Ca 0.33 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dh1 h LEU 116 Cb 0.52 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3dh1 h LEU 116 CO -0.65 0.92 0.00 0.23 0.09 0.00 0.00 178.44 179.03 3dh1 n MET 117 N -4.14 0.16 -2.43 1.13 2.81 -0.42 -4.77 117.12 109.47 3dh1 n MET 117 Ca 0.01 0.19 -0.15 0.00 -1.81 0.00 0.00 57.70 55.94 3dh1 n MET 117 Cb 0.40 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 3dh1 n MET 117 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3dh1 n LYS 118 N -1.99 -1.86 -1.83 0.03 5.02 0.15 -4.46 118.16 113.22 3dh1 n LYS 118 Ca 0.05 0.69 -0.42 0.00 -2.02 0.00 0.00 58.31 56.62 3dh1 n LYS 118 Cb 0.35 -5.01 -0.03 0.00 -0.02 0.00 0.00 35.03 30.32 3dh1 n LYS 118 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3dh1 s ILE 119 N -2.81 2.94 0.13 -0.18 1.09 -1.11 -4.09 121.20 117.17 3dh1 s ILE 119 Ca 0.06 0.30 0.13 0.00 -1.10 0.00 0.00 60.65 60.05 3dh1 s ILE 119 Cb -0.03 -3.19 0.00 0.00 -1.06 0.00 0.00 42.46 38.18 3dh1 s ILE 119 CO 0.08 -0.01 1.55 1.55 -0.10 0.00 0.00 174.94 178.02 3dh1 h PRO 120 N 8.93 0.00 -3.42 2.79 0.13 -1.76 -3.43 132.00 135.23 3dh1 h PRO 120 Ca -0.44 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.47 3dh1 h PRO 120 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 3dh1 h PRO 120 CO 0.94 0.60 -0.59 -1.17 -0.23 0.00 0.00 178.00 177.54 3dh1 s LEU 121 N -7.05 1.38 -0.08 1.56 2.96 -1.26 -1.56 118.68 114.63 3dh1 s LEU 121 Ca 0.01 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 3dh1 s LEU 121 Cb 0.11 0.37 0.02 0.00 0.50 0.00 0.00 46.19 47.19 3dh1 s LEU 121 CO 0.75 -0.06 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.96 3dh1 s VAL 122 N 0.32 0.82 -0.26 1.68 1.01 -0.61 -1.64 120.40 121.72 3dh1 s VAL 122 Ca -0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 3dh1 s VAL 122 Cb -0.03 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3dh1 s VAL 122 CO -0.01 0.32 0.03 -0.69 0.00 0.00 0.00 175.10 174.75 3dh1 s VAL 123 N 1.43 3.73 0.36 2.92 1.01 0.22 -1.35 120.40 128.71 3dh1 s VAL 123 Ca -0.01 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.39 3dh1 s VAL 123 Cb -0.13 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.34 3dh1 s VAL 123 CO -0.04 0.21 0.05 -0.72 0.00 0.00 0.00 175.10 174.61 3dh1 s TYR 124 N 1.49 2.07 0.00 5.22 1.13 -1.11 -1.13 117.35 125.02 3dh1 s TYR 124 Ca 0.04 -0.92 0.00 0.00 -1.41 0.00 0.00 57.07 54.78 3dh1 s TYR 124 Cb -0.16 -1.39 0.00 0.00 -1.10 0.00 0.00 41.96 39.30 3dh1 s TYR 124 CO 0.00 0.09 0.00 0.41 -2.51 0.00 0.00 175.55 173.54 3dh1 n GLY 125 N -0.78 0.20 3.98 5.49 0.00 -1.07 -1.78 105.19 111.22 3dh1 n GLY 125 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 3dh1 n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dh1 s GLN 127 N -4.14 3.62 -0.87 0.00 -1.52 -1.26 -1.02 119.66 114.47 3dh1 s GLN 127 Ca 0.42 1.54 -0.06 0.00 -1.95 0.00 0.00 55.36 55.30 3dh1 s GLN 127 Cb -0.09 -2.13 0.22 0.00 -0.22 0.00 0.00 33.01 30.79 3dh1 s GLN 127 CO 0.31 -0.62 0.77 1.21 -0.25 0.00 0.00 175.29 176.72 3dh1 s ASN 128 N -1.77 6.29 0.42 5.90 3.84 -1.26 -4.70 114.94 123.66 3dh1 s ASN 128 Ca 0.69 -3.27 0.10 0.00 0.21 0.00 0.00 52.86 50.59 3dh1 s ASN 128 Cb -0.22 -2.03 0.91 0.00 -0.55 0.00 0.00 41.25 39.36 3dh1 s ASN 128 CO 0.26 -0.34 2.01 -0.33 -2.79 0.00 0.00 177.10 175.91 3dh1 h GLU 129 N 6.78 0.28 -0.09 0.43 5.08 -1.95 0.14 114.58 125.25 3dh1 h GLU 129 Ca 0.11 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 3dh1 h GLU 129 Cb 0.91 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.12 3dh1 h GLU 129 CO 0.83 0.29 -0.50 0.00 -1.00 0.00 0.00 179.01 178.63 3dh1 h ARG 130 N 0.28 0.51 0.00 2.33 3.08 -1.98 -3.43 114.38 115.16 3dh1 h ARG 130 Ca 0.07 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 3dh1 h ARG 130 Cb 0.16 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3dh1 h ARG 130 CO 0.00 1.05 -0.20 0.34 -1.07 0.00 0.00 179.97 180.10 3dh1 n PHE 131 N -4.24 0.00 -2.19 3.04 7.35 -1.16 -4.96 117.46 115.31 3dh1 n PHE 131 Ca -0.08 -0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.19 3dh1 n PHE 131 Cb 0.60 0.13 -0.03 0.00 0.35 0.00 0.00 39.48 40.54 3dh1 n PHE 131 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3dh1 s GLY 132 N -0.39 2.29 -0.31 7.13 0.00 0.48 -1.11 107.32 115.40 3dh1 s GLY 132 Ca 0.00 1.13 0.10 0.00 0.00 0.00 0.00 44.72 45.94 3dh1 s GLY 132 CO -0.00 2.17 1.65 0.61 0.00 0.00 0.00 173.10 177.54 3dh1 n GLY 133 N 2.71 4.31 0.18 0.20 0.00 0.41 -1.66 105.19 111.34 3dh1 n GLY 133 Ca 0.08 -1.10 0.09 0.00 0.00 0.00 0.00 46.02 45.09 3dh1 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dh1 n GLY 135 N -1.28 1.94 0.36 0.00 0.00 0.13 -4.83 105.19 101.52 3dh1 n GLY 135 Ca 0.15 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 3dh1 n GLY 135 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3dh1 h SER 136 N 2.00 -0.86 0.00 1.61 0.02 -1.88 -3.39 113.55 111.05 3dh1 h SER 136 Ca 0.00 0.05 -0.36 0.00 -0.84 0.00 0.00 61.79 60.63 3dh1 h SER 136 Cb 0.00 0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.73 3dh1 h SER 136 CO 0.00 -0.53 -2.30 0.52 -1.14 0.00 0.00 176.83 173.38 3dh1 n VAL 137 N -4.52 1.30 -4.13 2.27 0.31 -0.66 -4.96 118.33 107.94 3dh1 n VAL 137 Ca -0.10 -0.43 -0.09 0.00 -0.01 0.00 0.00 64.34 63.70 3dh1 n VAL 137 Cb 0.35 -1.50 -0.10 0.00 -0.91 0.00 0.00 33.84 31.68 3dh1 n VAL 137 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3dh1 s LEU 138 N -6.70 2.48 -0.81 7.52 1.43 -1.04 -5.05 118.68 116.50 3dh1 s LEU 138 Ca -0.32 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 51.84 3dh1 s LEU 138 Cb 0.10 0.02 0.20 0.00 0.03 0.00 0.00 46.19 46.53 3dh1 s LEU 138 CO 0.48 -0.49 0.65 0.21 0.23 0.00 0.00 176.35 177.43 3dh1 s ASN 139 N -2.85 5.48 0.31 2.29 3.84 -1.26 0.21 114.94 122.96 3dh1 s ASN 139 Ca 0.08 -3.78 0.14 0.00 0.21 0.00 0.00 52.86 49.51 3dh1 s ASN 139 Cb 0.05 -1.79 0.44 0.00 -0.55 0.00 0.00 41.25 39.40 3dh1 s ASN 139 CO -0.06 -0.14 1.63 0.40 -2.79 0.00 0.00 177.10 176.14 3dh1 h ILE 140 N 4.22 1.17 -0.63 -5.21 1.08 -1.66 -3.13 117.51 113.36 3dh1 h ILE 140 Ca 0.15 -1.95 0.04 0.00 -0.39 0.00 0.00 64.86 62.72 3dh1 h ILE 140 Cb 0.79 2.11 -0.05 0.00 -3.07 0.00 0.00 36.82 36.60 3dh1 h ILE 140 CO 0.79 0.52 0.36 0.00 -0.69 0.00 0.00 178.15 179.14 3dh1 h ALA 141 N 1.47 0.82 -0.51 1.87 0.00 -1.83 -2.83 119.26 118.25 3dh1 h ALA 141 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dh1 h ALA 141 Cb 1.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3dh1 h ALA 141 CO 0.07 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 3dh1 n SER 142 N -4.77 3.50 -4.75 0.00 3.41 -1.25 -1.58 113.62 108.18 3dh1 n SER 142 Ca 0.07 -1.97 -0.41 0.00 -0.26 0.00 0.00 58.87 56.29 3dh1 n SER 142 Cb 0.12 -0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 3dh1 n SER 142 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dh1 s ALA 143 N -1.15 3.73 -1.06 7.33 0.00 -1.07 -4.85 121.76 124.69 3dh1 s ALA 143 Ca 0.39 1.58 -0.23 0.00 0.00 0.00 0.00 51.96 53.70 3dh1 s ALA 143 Cb 0.21 -3.65 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3dh1 s ALA 143 CO 0.28 -1.00 1.69 0.34 0.00 0.00 0.00 175.76 177.08 3dh1 s ASP 144 N 0.43 6.02 -0.31 0.00 2.15 -1.26 -4.78 116.67 118.92 3dh1 s ASP 144 Ca 0.62 -1.44 0.02 0.00 0.43 0.00 0.00 52.55 52.18 3dh1 s ASP 144 Cb -0.48 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 39.66 3dh1 s ASP 144 CO 0.50 -1.97 0.05 -0.76 -0.17 0.00 0.00 175.17 172.81 3dh1 s LEU 145 N 6.95 3.42 0.08 -1.34 1.43 -1.26 -5.05 118.68 122.91 3dh1 s LEU 145 Ca 0.57 -1.78 -0.28 0.00 -1.03 0.00 0.00 54.13 51.60 3dh1 s LEU 145 Cb -0.01 -1.26 -0.16 0.00 0.03 0.00 0.00 46.19 44.79 3dh1 s LEU 145 CO -0.02 -0.37 1.67 -0.65 0.23 0.00 0.00 176.35 177.22 3dh1 h PRO 146 N 7.85 -0.49 -0.97 1.29 0.11 -1.93 -3.27 132.00 134.58 3dh1 h PRO 146 Ca -0.10 0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.49 3dh1 h PRO 146 Cb 1.03 0.11 -0.30 0.00 0.11 0.00 0.00 31.00 31.95 3dh1 h PRO 146 CO 0.48 -0.33 0.68 0.09 -0.21 0.00 0.00 178.00 178.72 3dh1 n ASN 147 N -5.33 4.89 -3.44 -2.05 3.02 -1.26 -4.81 115.26 106.28 3dh1 n ASN 147 Ca -0.10 -3.67 -0.15 0.00 -0.03 0.00 0.00 54.58 50.62 3dh1 n ASN 147 Cb 0.24 -0.87 -0.11 0.00 -0.61 0.00 0.00 39.78 38.43 3dh1 n ASN 147 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3dh1 s THR 148 N -3.76 -0.41 0.00 3.41 -4.23 -1.23 -5.12 115.64 104.29 3dh1 s THR 148 Ca 0.59 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 3dh1 s THR 148 Cb 0.49 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 73.57 3dh1 s THR 148 CO 0.07 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3dh1 n GLY 149 N 5.33 -0.39 3.31 3.99 0.00 -1.26 -4.83 105.19 111.35 3dh1 n GLY 149 Ca -0.05 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 3dh1 n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dh1 s ARG 150 N 0.00 1.20 0.80 1.61 0.52 -1.00 -4.98 118.95 117.11 3dh1 s ARG 150 Ca 0.00 -1.22 -0.10 0.00 -0.52 0.00 0.00 55.73 53.88 3dh1 s ARG 150 Cb 0.00 -1.50 0.08 0.00 0.52 0.00 0.00 34.95 34.04 3dh1 s ARG 150 CO 0.00 0.35 1.10 -1.25 0.02 0.00 0.00 175.30 175.52 3dh1 s PRO 151 N -2.00 1.99 0.33 3.54 0.04 -1.26 -4.53 135.00 133.10 3dh1 s PRO 151 Ca 0.09 1.21 0.03 0.00 0.04 0.00 0.00 61.00 62.37 3dh1 s PRO 151 Cb -0.10 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 3dh1 s PRO 151 CO 0.05 -1.84 0.08 -0.59 0.04 0.00 0.00 177.00 174.74 3dh1 s PHE 152 N -2.86 1.84 0.05 0.56 -0.12 -0.62 -4.88 117.98 111.95 3dh1 s PHE 152 Ca 0.62 -1.07 0.03 0.00 -0.05 0.00 0.00 56.93 56.46 3dh1 s PHE 152 Cb -0.18 -1.18 -0.04 0.00 -0.63 0.00 0.00 43.02 40.99 3dh1 s PHE 152 CO 0.56 -0.13 0.02 -1.14 -0.05 0.00 0.00 175.22 174.48 3dh1 s GLN 153 N -3.88 2.71 0.00 1.99 2.00 -0.60 -4.50 119.66 117.38 3dh1 s GLN 153 Ca 0.34 -0.71 0.06 0.00 -2.00 0.00 0.00 55.36 53.05 3dh1 s GLN 153 Cb 0.07 -2.63 -0.02 0.00 0.80 0.00 0.00 33.01 31.23 3dh1 s GLN 153 CO 0.15 0.58 -0.20 0.00 -0.50 0.00 0.00 175.29 175.32 3dh1 s ILE 155 N -0.56 2.67 0.86 0.00 1.01 -0.46 -4.98 121.20 119.73 3dh1 s ILE 155 Ca 0.07 -3.37 -0.12 0.00 0.00 0.00 0.00 60.65 57.23 3dh1 s ILE 155 Cb -0.08 -2.84 0.11 0.00 0.01 0.00 0.00 42.46 39.66 3dh1 s ILE 155 CO -0.00 -0.82 1.14 -2.16 0.00 0.00 0.00 174.94 173.11 3dh1 s PRO 156 N -0.36 1.60 0.00 2.79 0.04 -1.26 -2.74 135.00 135.06 3dh1 s PRO 156 Ca 0.17 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.49 3dh1 s PRO 156 Cb -0.24 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3dh1 s PRO 156 CO -0.01 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 175.56 3dh1 n GLY 157 N -2.60 0.59 3.61 0.56 0.00 0.20 -4.89 105.19 102.67 3dh1 n GLY 157 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3dh1 n GLY 157 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dh1 s TYR 158 N -2.29 2.22 -1.47 1.61 5.04 -1.06 -2.62 117.35 118.78 3dh1 s TYR 158 Ca 0.00 0.65 -0.12 0.00 -2.44 0.00 0.00 57.07 55.16 3dh1 s TYR 158 Cb 0.00 -4.11 0.06 0.00 0.35 0.00 0.00 41.96 38.26 3dh1 s TYR 158 CO 0.00 -2.45 1.07 0.54 -1.34 0.00 0.00 175.55 173.37 3dh1 n ARG 159 N 7.92 -6.53 -0.37 4.97 1.74 -1.26 -4.19 116.66 118.95 3dh1 n ARG 159 Ca 0.18 0.69 0.03 0.00 -0.77 0.00 0.00 57.85 57.99 3dh1 n ARG 159 Cb 0.47 -5.65 0.18 0.00 -1.02 0.00 0.00 32.46 26.44 3dh1 n ARG 159 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dh1 h ALA 160 N 0.99 1.42 -0.03 7.54 0.00 -1.71 -2.52 119.26 124.95 3dh1 h ALA 160 Ca -0.58 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.34 3dh1 h ALA 160 Cb 1.37 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3dh1 h ALA 160 CO 0.63 0.42 -0.10 0.93 0.00 0.00 0.00 179.25 181.12 3dh1 h GLU 161 N 1.16 -0.16 0.47 0.00 5.08 -1.91 0.17 114.58 119.38 3dh1 h GLU 161 Ca 0.44 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.79 3dh1 h GLU 161 Cb 0.21 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3dh1 h GLU 161 CO -0.19 -0.11 -0.23 0.93 -1.00 0.00 0.00 179.01 178.42 3dh1 h GLU 162 N -0.16 -0.61 -0.50 2.33 5.08 -1.94 -1.14 114.58 117.64 3dh1 h GLU 162 Ca 0.05 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 3dh1 h GLU 162 Cb 0.23 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 3dh1 h GLU 162 CO -0.13 -0.36 -0.51 0.00 -1.00 0.00 0.00 179.01 177.01 3dh1 h ALA 163 N -0.22 -0.58 -0.32 3.43 0.00 -1.25 -1.33 119.26 119.00 3dh1 h ALA 163 Ca -0.06 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3dh1 h ALA 163 Cb 0.53 1.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 3dh1 h ALA 163 CO 0.11 -0.96 0.09 -0.24 0.00 0.00 0.00 179.25 178.25 3dh1 h VAL 164 N -0.31 1.15 -0.85 0.00 3.04 -0.62 -0.70 116.25 117.95 3dh1 h VAL 164 Ca 0.12 -0.50 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 3dh1 h VAL 164 Cb 0.57 0.81 -0.04 0.00 -2.01 0.00 0.00 31.29 30.62 3dh1 h VAL 164 CO -0.64 0.18 0.53 -0.08 -1.01 0.00 0.00 177.57 176.55 3dh1 h GLU 165 N 0.45 1.14 0.05 4.17 4.81 -0.22 0.23 114.58 125.22 3dh1 h GLU 165 Ca 0.11 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3dh1 h GLU 165 Cb 0.16 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3dh1 h GLU 165 CO -0.01 0.78 -0.03 0.52 -0.73 0.00 0.00 179.01 179.55 3dh1 h MET 166 N 1.16 -0.07 -0.63 1.92 2.86 -0.18 -1.75 114.93 118.24 3dh1 h MET 166 Ca 0.31 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 58.07 3dh1 h MET 166 Cb -0.08 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.51 3dh1 h MET 166 CO -0.06 0.16 0.17 -0.07 1.06 0.00 0.00 176.91 178.17 3dh1 h LEU 167 N -0.30 0.08 -0.42 1.22 3.38 -0.89 -0.89 115.31 117.49 3dh1 h LEU 167 Ca -0.01 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3dh1 h LEU 167 Cb 0.26 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3dh1 h LEU 167 CO 0.01 0.04 0.09 0.11 0.09 0.00 0.00 178.44 178.78 3dh1 h LYS 168 N 0.31 0.68 -0.27 1.13 1.57 -0.34 -1.76 116.57 117.89 3dh1 h LYS 168 Ca 0.34 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 3dh1 h LYS 168 Cb 0.50 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3dh1 h LYS 168 CO -0.40 0.70 -0.39 1.79 -0.57 0.00 0.00 179.45 180.59 3dh1 h THR 169 N 0.55 1.29 -0.52 -0.16 1.35 -0.97 -2.81 112.91 111.63 3dh1 h THR 169 Ca 0.13 -1.55 0.01 0.00 -0.55 0.00 0.00 66.41 64.45 3dh1 h THR 169 Cb 0.33 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 68.23 3dh1 h THR 169 CO 0.00 0.50 0.33 0.15 -0.25 0.00 0.00 175.52 176.25 3dh1 h PHE 170 N 0.52 0.63 0.00 4.73 3.57 -0.98 -2.28 116.94 123.14 3dh1 h PHE 170 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3dh1 h PHE 170 Cb 0.90 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.43 3dh1 h PHE 170 CO 0.04 0.38 0.00 0.66 -2.23 0.00 0.00 178.31 177.16 3dh1 n TYR 171 N -4.75 0.00 -3.37 0.41 0.53 -0.68 -4.11 117.16 105.20 3dh1 n TYR 171 Ca 0.03 0.00 -0.46 0.00 -1.02 0.00 0.00 57.90 56.46 3dh1 n TYR 171 Cb 0.04 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.31 3dh1 n TYR 171 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 3dh1 s LYS 172 N -2.00 3.29 0.00 -0.72 1.02 -0.86 -5.10 119.74 115.37 3dh1 s LYS 172 Ca 0.11 -2.22 0.00 0.00 0.02 0.00 0.00 55.97 53.88 3dh1 s LYS 172 Cb 0.05 -4.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.05 3dh1 s LYS 172 CO 0.08 -1.29 0.00 0.94 -0.92 0.00 0.00 175.35 174.17